Grundinformationen
- Standard-SMILES
CCCCC(=O)Cl- InChIKey
XGISHOFUAFNYQF-UHFFFAOYSA-N- Summenformel
- C5H9ClO
- Durchschnittliche Molmasse
- 120,58 g/mol
- Monoisotopische Masse
- 120,03419259
Überblick
Valeryl chloride appears as a colorless fuming liquid with a pungent odor. Fumes irritate the eyes and mucous membranes. Corrosive.
Namen und Bezeichner
- Bevorzugter Name
- Valeryl chloride
- IUPAC
- pentanoyl chloride
- Lokaler Name
- Valerylchlorid
- Englischer Name
- Valeryl chloride
- Summenformel
- C5H9ClO
- Molmasse
- 120.58
Namen und Synonyme
Valeryl chloridePENTANOYL CHLORIDEValeroyl chloriden-pentanoyl chloridepentanoic acid chloriden-Valeroyl chlorideDTXSID2034091n-Butanecarbonyl chlorideKJ3B4CY5GGUN2502DTXCID0014091XGISHOFUAFNYQF-UHFFFAOYSA-
Weitere Namen anzeigen
N-VALERYL CHLORIDEvalerylVACLeroyLIs e chloride
UN 2502nPentanoyl chloridenButanecarbonyl chlorideRefChem:193560211-330-1InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3XGISHOFUAFNYQF-UHFFFAOYSA-N638-29-9
Datenbank-Bezeichner
- CAS
638-29-9- PubChem CID
- 61186
- DTXSID
DTXSID2034091- ChEMBL
CHEMBL1607711- UNII
- KJ3B4CY5GG
- EC Number
- 211-330-1
- Nikkaji
- J36.576I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 61,1
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesBoiling point
Physical Description
Valeryl chloride appears as a colorless fuming liquid with a pungent odor. Fumes irritate the eyes and mucous membranes. Corrosive.
Colorless fuming liquid with a pungent odor; [CAMEO] Colorless to pale yellow liquid with an acrid odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -110 °C · -110 °C
- Siedepunkt
- 125 · 125-127 °C(lit.)
- Dichte
- 1.016 g/mL · 1.016 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.42(lit.)
- Flammpunkt
- 91 °F · 91 °F
- storage temp.
- Flammables area
- Löslichkeit
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to light yellow
- Wasserlöslichkeit
- decomposes
- BRN
- 506293 · 506293
- Stabilität
- Moisture Sensitive
- InChI
- 1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
- InChIKey
- XGISHOFUAFNYQF-UHFFFAOYSA-N
- SMILES
- CCCCC(Cl)=O
- CAS Datenbank
- 638 · 638-29-9(CAS DataBase Reference)
- NIST chemische Informationen
- Pentanoyl chloride(638-29-9)
- EPA chemische Informationen
- Pentanoyl chloride (638-29-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 160 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Pentanoyl chloride
Status: Active Update: 10-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13405
Pentanoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - Pentanoyl chloride: Human health tier I assessment
DOT LabelCorrosive Flammable Liquid
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards SummaryReacts with water evolving hydrochloric and valeric acids; Corrosive; Fumes cause eye and mucous membrane irritation; [CAMEO] Hydrolyzed by water; Causes burns; Harmful by ingestion and inhalation; [Alfa Aesar MSDS]
DOT ID and Guide2502 132
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsHighly Flammable
Reactivity Profile
VALERYL CHLORIDE is acidic. Incompatible with water, with bases, including amines, and with strong oxidizing agents and alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Valeryl chloride
UN2502
Class 8 Corrosive material (49 eCFR § 173.136)
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Fumes in air. Reacts exothermically with water to generate hydrochloric and valeric acids, which are corrosive.
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 2,070 mg/m3/4hr
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2502
- hs_code
- 29159080
- RTECS-Nr.
- YV9107500
- risk_code
- 10-20-35-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 InhalationAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1A
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make large scale and fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationPentanoyl chloride: ACTIVE
Anwendungen
VerwendenValeryl chloride is an intermediate for pharmaceuticals, agrochemicals, surfactants, fragrances, electronic chemicals.
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